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Home > Pyridines > 1422136-02-4
1422136-02-4 | [(3aS,7aS)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone
CAS No: 1422136-02-4 Catalog No: AG01DGZI MDL No:
Product Description
Catalog Number:
AG01DGZI
Chemical Name:
[(3aS,7aS)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone
CAS Number:
1422136-02-4
Molecular Formula:
C11H15N3OS
Molecular Weight:
237.3213
IUPAC Name:
[(3aS,7aS)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone
InChI:
InChI=1S/C11H15N3OS/c15-11(10-6-16-7-13-10)14-2-1-8-3-12-4-9(8)5-14/h6-9,12H,1-5H2/t8-,9+/m1/s1
InChI Key:
GOTHIHUTXOQWCC-BDAKNGLRSA-N
SMILES:
O=C(c1cscn1)N1CC[C@H]2[C@H](C1)CNC2
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
237.094g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.321g/mol
Monoisotopic Mass:
237.094g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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